[3-(2-ethylazepan-1-yl)phenyl]methanamine

C15H24N2 — CID 102814297

IUPAC[3-(2-ethylazepan-1-yl)phenyl]methanamine
SMILESCCC1CCCCCN1c1cccc(CN)c1
InChIInChI=1S/C15H24N2/c1-2-14-8-4-3-5-10-17(14)15-9-6-7-13(11-15)12-16/h6-7,9,11,14H,2-5,8,10,12,16H2,1H3
InChIKeyLRLWMBSDCJRHQM-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.30
Rot. Bonds3

About [3-(2-ethylazepan-1-yl)phenyl]methanamine

[3-(2-ethylazepan-1-yl)phenyl]methanamine (PubChem CID 102814297) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is [3-(2-ethylazepan-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(2-ethylazepan-1-yl)phenyl]methanamine
PubChem CID102814297
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name[3-(2-ethylazepan-1-yl)phenyl]methanamine
SMILESCCC1CCCCCN1c1cccc(CN)c1
InChIInChI=1S/C15H24N2/c1-2-14-8-4-3-5-10-17(14)15-9-6-7-13(11-15)12-16/h6-7,9,11,14H,2-5,8,10,12,16H2,1H3
InChIKeyLRLWMBSDCJRHQM-UHFFFAOYSA-N
XLogP3.30
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(2-ethylpiperazin-1-yl)phenyl]methanamine
CID 174498888
[4-(2-ethylazepan-1-yl)-2-methylphenyl]methanamine
CID 104688921
[4-(2-ethylazepan-1-yl)-2-pyridinyl]methanamine
CID 113441573
[3-bromo-4-(2-ethylazepan-1-yl)phenyl]methanamine
CID 104688915
[4-(2-ethylpiperidin-1-yl)-2-fluorophenyl]methanamine
CID 115366675
4-(2-ethylazepan-1-yl)-2-methylaniline
CID 104688805
[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)phenyl]methanamine
CID 102814225
[2-(2-ethylazepan-1-yl)pyrimidin-5-yl]methanamine
CID 104690773
[2-(2-ethylazepan-1-yl)phenyl]methanamine
CID 104688934
2-ethyl-1-(4-methylphenyl)piperidine
CID 90712958
2-benzyl-1-[3-(2,2-dimethylpropyl)phenyl]piperidine
CID 160880008
1-[3-(chloromethyl)-5-fluorophenyl]-2-ethylazepane
CID 106530530

Frequently Asked Questions

What is the IUPAC name of [3-(2-ethylazepan-1-yl)phenyl]methanamine?
The IUPAC name of [3-(2-ethylazepan-1-yl)phenyl]methanamine (CID 102814297) is [3-(2-ethylazepan-1-yl)phenyl]methanamine.
What is the SMILES notation for [3-(2-ethylazepan-1-yl)phenyl]methanamine?
The canonical SMILES for [3-(2-ethylazepan-1-yl)phenyl]methanamine is CCC1CCCCCN1c1cccc(CN)c1.
What is the InChIKey of [3-(2-ethylazepan-1-yl)phenyl]methanamine?
The InChIKey is LRLWMBSDCJRHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-2-14-8-4-3-5-10-17(14)15-9-6-7-13(11-15)12-16/h6-7,9,11,14H,2-5,8,10,12,16H2,1H3.
What are the key properties of [3-(2-ethylazepan-1-yl)phenyl]methanamine?
[3-(2-ethylazepan-1-yl)phenyl]methanamine has a molecular weight of 232.37 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-ethylazepan-1-yl)phenyl]methanamine is sourced from PubChem (CID 102814297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).